2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline

C10H10FN3S — CID 43664093

IUPAC2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)c(F)c1
InChIInChI=1S/C10H10FN3S/c1-7-2-3-10(9(11)4-7)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyMFWCWTQPCUZDBT-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

About 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline

2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43664093) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43664093
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)c(F)c1
InChIInChI=1S/C10H10FN3S/c1-7-2-3-10(9(11)4-7)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyMFWCWTQPCUZDBT-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline (CID 43664093) is 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1ccc(NCc2csnn2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is MFWCWTQPCUZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-2-3-10(9(11)4-7)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3.
What are the key properties of 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 223.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43664093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).